H - Modeling transport and phase transformations driven by irradiation, electrochemical and mechanical forces

Symposium organizers (click here to contact us)

Pascal Bellon (University of Illinois at Urbana Champaign, USA)
Jean-Paul Crocombette (CEA Saclay, France)
Maylise Nastar (CEA Saclay, France)
Dallas Trinkle (University of Illinois at Urbana Champaign, USA)

Symposium description

Computational research plays a central role in advancing the understanding of the various phase transitions and microstructural changes driven by irradiation, electrochemical and mechanical forces, which are not observed under thermal conditions. This symposium will focus on non-equilibrium phenomena controlled by the point defect formation and diffusion mechanisms such as the formation of point defect microstructures (dislocation loop, cavity), enhanced diffusion and precipitation, induced segregation, precipitation and disordering, activated by the damage production under irradiation/oxidation/stress.

Recent developments in ab initio approaches, thermodynamic and kinetic theories, multiscale simulation tools (Molecular Dynamics, Kinetic Monte Carlo methods, diffusion theories, Phase Field methods, Cluster Dynamics, etc.) and atomic scale experimental techniques (Analytic Transmission Electron Microscopy, Atom Probe Tomography, etc.) open new perspectives in this field.

The purpose of this symposium is to present computational research on the irradiation, stress, corrosion and oxidation behavior of materials with an emphasis on point defect production/point defect diffusion/phase transformation/microstructure relationships. Topics of interest include (but are not limited to):

• Thermodynamic and kinetic properties of point defects
• Fundamental understanding of irradiation/oxidation/mechanical damage
• Diffusion, transport under temperature or chemical potential gradients and stress
• Phase transformations driven by oxidation/corrosion, mechanical forcing, and irradiation
• Atomistic and continuum modeling of driven phase transformations

Invited speakers

• Kazuto Arakawa (Shimane University, Japan)
  Direct HRTEM observation of the clustering process of self-interstitial atoms in iron
  

• Thomas Jourdan (CEA Saclay, France)
  Multiscale modeling of the influence of semi-coherent interfaces on point defect concentrations and point defect clustering

• Jamie Marian (University of California Los Angeles, USA)
  Mesoscale modeling of laser-induced crystallization of amorphous Ge

• Georges Martin 
  MMM and the challenge of driven materials
  

• Pär Olsson (KTH Royal Institute of Technology, Sweden)
  Impurity flux coupling and anomalous swelling in iron

• Mira Todorova (Max-Planck-Institut für Eisenforschung, Germany)
  Formation and dissolution of protective oxide layers in a wet electrochemical environment

• Blas Uberuaga (Los Alamos National Laboratory, USA)
  Correlating disordering energetics and amorphization resistance in complex oxides